(Z)-1,1,2-trichlorobut-2-ene

C4H5Cl3 — CID 13215582

IUPAC(Z)-1,1,2-trichlorobut-2-ene
SMILESC/C=C(\Cl)C(Cl)Cl
InChIInChI=1S/C4H5Cl3/c1-2-3(5)4(6)7/h2,4H,1H3/b3-2-
InChIKeyGTLVCKJZOABDSQ-IHWYPQMZSA-N
MW159.44 g/mol
LogP2.93
Rot. Bonds1

About (Z)-1,1,2-trichlorobut-2-ene

(Z)-1,1,2-trichlorobut-2-ene (PubChem CID 13215582) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is (Z)-1,1,2-trichlorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,2-trichlorobut-2-ene
PubChem CID13215582
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name(Z)-1,1,2-trichlorobut-2-ene
SMILESC/C=C(\Cl)C(Cl)Cl
InChIInChI=1S/C4H5Cl3/c1-2-3(5)4(6)7/h2,4H,1H3/b3-2-
InChIKeyGTLVCKJZOABDSQ-IHWYPQMZSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trichloropent-2-ene
CID 151738517
(Z)-3-chloropent-3-en-2-ol
CID 119096049
4-chlorohexa-1,4-dien-3-ol
CID 74377568
1,1-dichloroprop-1-ene
CID 157073234
CID 101229257
CID 101229257
chloroform;methanol
CID 173309675
chloroform;methanol
CID 173018799
4-chloro-3-methylpent-2-ene
CID 85440898
1,3,3-trichloro-2-methylprop-1-ene
CID 524158
1,1-dichloropropan-2-one
CID 10567
1,1,4-trichloropent-1-ene
CID 23263214
chloroform;methanol;octahydrate
CID 173365306

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,2-trichlorobut-2-ene?
The IUPAC name of (Z)-1,1,2-trichlorobut-2-ene (CID 13215582) is (Z)-1,1,2-trichlorobut-2-ene.
What is the SMILES notation for (Z)-1,1,2-trichlorobut-2-ene?
The canonical SMILES for (Z)-1,1,2-trichlorobut-2-ene is C/C=C(\Cl)C(Cl)Cl.
What is the InChIKey of (Z)-1,1,2-trichlorobut-2-ene?
The InChIKey is GTLVCKJZOABDSQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H5Cl3/c1-2-3(5)4(6)7/h2,4H,1H3/b3-2-.
What are the key properties of (Z)-1,1,2-trichlorobut-2-ene?
(Z)-1,1,2-trichlorobut-2-ene has a molecular weight of 159.44 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,2-trichlorobut-2-ene is sourced from PubChem (CID 13215582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).